3,4-Difluorohydrocinnamic acid - CAS 161712-75-0
Catalog: |
BB011774 |
Product Name: |
3,4-Difluorohydrocinnamic acid |
CAS: |
161712-75-0 |
Synonyms: |
3-(3,4-difluorophenyl)propanoic acid |
IUPAC Name: | 3-(3,4-difluorophenyl)propanoic acid |
Description: | 3,4-Difluorohydrocinnamic acid (CAS# 161712-75-0) is a useful research chemical. |
Molecular Weight: | 186.16 |
Molecular Formula: | C9H8F2O2 |
Canonical SMILES: | C1=CC(=C(C=C1CCC(=O)O)F)F |
InChI: | InChI=1S/C9H8F2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13) |
InChI Key: | UOZIYCHJMUNLIG-UHFFFAOYSA-N |
Boiling Point: | 277.7 ℃ at 760 mmHg |
Density: | 1.312 g/cm3 |
MDL: | MFCD00799520 |
LogP: | 1.98200 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111217694-A | method for selectively reducing carbon-carbon double bond in α, beta-unsaturated carbonyl compound | 20200212 |
WO-2020055858-A1 | Pyridopyrazine and pyridotriazine inhibitors of influenza virus replication | 20180910 |
TW-202023566-A | Inhibitors of influenza virus replication | 20180910 |
EP-3849978-A1 | Pyridopyrazine and pyridotriazine inhibitors of influenza virus replication | 20180910 |
EP-3801504-A1 | Selective ligands for modulation of girk channels | 20180611 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.04923582 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.04923582 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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